1-(7-chlorohepta-3,4-dienoxy)tetradeca-2,5-diene

C21H35ClO — CID 54296188

IUPAC1-(7-chlorohepta-3,4-dienoxy)tetradeca-2,5-diene
SMILESCCCCCCCCC=CCC=CCOCCC=C=CCCCl
InChIInChI=1S/C21H35ClO/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-23-21-18-15-12-13-16-19-22/h9-10,13-15,17H,2-8,11,16,18-21H2,1H3
InChIKeySAYRVGQASALJSD-UHFFFAOYSA-N
MW338.96 g/mol
LogP6.99
Rot. Bonds16

About 1-(7-chlorohepta-3,4-dienoxy)tetradeca-2,5-diene

1-(7-chlorohepta-3,4-dienoxy)tetradeca-2,5-diene (PubChem CID 54296188) has the molecular formula C21H35ClO and a molecular weight of 338.96 g/mol. Its IUPAC name is 1-(7-chlorohepta-3,4-dienoxy)tetradeca-2,5-diene.

Molecular Properties

Compound Name1-(7-chlorohepta-3,4-dienoxy)tetradeca-2,5-diene
PubChem CID54296188
Molecular FormulaC21H35ClO
Molecular Weight338.96 g/mol
Exact Mass338.24
IUPAC Name1-(7-chlorohepta-3,4-dienoxy)tetradeca-2,5-diene
SMILESCCCCCCCCC=CCC=CCOCCC=C=CCCCl
InChIInChI=1S/C21H35ClO/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-23-21-18-15-12-13-16-19-22/h9-10,13-15,17H,2-8,11,16,18-21H2,1H3
InChIKeySAYRVGQASALJSD-UHFFFAOYSA-N
XLogP6.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.96
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-(6-chlorohexa-2,3-dienoxy)undec-3-ene
CID 88698377
1-(7-chlorohepta-2,3-dienoxy)trideca-3,6-diene
CID 54221453
7-undec-2-enoxyhepta-3,4-dienoic acid
CID 54353826
heptatriaconta-15,18,19-triene
CID 57100861
(7Z,10Z)-1-bromoicosa-3,4,7,10-tetraene
CID 88698471
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
3-[(E)-tridec-2-enoxy]propanenitrile
CID 101282673
(Z)-1-hex-2-enoxydec-2-ene
CID 174457455
(Z)-1-ethoxynon-2-ene
CID 164754073
1-icosa-5,8,11,14-tetraenoxyicosa-5,8,11,14-tetraene
CID 54078001

Frequently Asked Questions

What is the IUPAC name of 1-(7-chlorohepta-3,4-dienoxy)tetradeca-2,5-diene?
The IUPAC name of 1-(7-chlorohepta-3,4-dienoxy)tetradeca-2,5-diene (CID 54296188) is 1-(7-chlorohepta-3,4-dienoxy)tetradeca-2,5-diene.
What is the SMILES notation for 1-(7-chlorohepta-3,4-dienoxy)tetradeca-2,5-diene?
The canonical SMILES for 1-(7-chlorohepta-3,4-dienoxy)tetradeca-2,5-diene is CCCCCCCCC=CCC=CCOCCC=C=CCCCl.
What is the InChIKey of 1-(7-chlorohepta-3,4-dienoxy)tetradeca-2,5-diene?
The InChIKey is SAYRVGQASALJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35ClO/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-23-21-18-15-12-13-16-19-22/h9-10,13-15,17H,2-8,11,16,18-21H2,1H3.
What are the key properties of 1-(7-chlorohepta-3,4-dienoxy)tetradeca-2,5-diene?
1-(7-chlorohepta-3,4-dienoxy)tetradeca-2,5-diene has a molecular weight of 338.96 g/mol, XLogP of 6.99, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chlorohepta-3,4-dienoxy)tetradeca-2,5-diene is sourced from PubChem (CID 54296188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).